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1,3,4,6-Tetrachloroglycoluril - ≥98%, high purity , CAS No.776-19-2
Cas Number: 776-19-2
Molecular Weight: 279.896
PubChem CID:
61212
Basic Description
Synonyms
1,3,4,6-Tetrachloroglycoluril | 776-19-2 | Tetrachloroglycoluril | 1,3,4,6-Tetrachlorotetrahydroimidazo(4,5-d)imidazole-2,5(1H,3H)-dione | 26248-99-7 | 1,3,4,6-Tetrachlorglycoluril | Glycoluril, 1,3,4,6-tetrachloro- | MO18CUP6CW | Daxan | 1,3,4,6-tetrachloro-3a,6a-dihydroi
Specifications & Purity
≥98%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azolidines
Subclass
Imidazolidines
Intermediate Tree Nodes
Not available
Direct Parent
Imidazolidinones
Alternative Parents
Organic carbonic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Imidazolidinone - Carbonic acid derivative - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as imidazolidinones. These are organic compounds containing an imidazolidinone moiety, which is an imidazolidine ring bearing a ketone.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
1,3,4,6-tetrachloro-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
INCHI
InChI=1S/C4H2Cl4N4O2/c5-9-1-2(11(7)3(9)13)12(8)4(14)10(1)6/h1-2H
InChIKey
TWVLNKKMSLYUQQ-UHFFFAOYSA-N
Smiles
C12C(N(C(=O)N1Cl)Cl)N(C(=O)N2Cl)Cl
Isomeric SMILES
C12C(N(C(=O)N1Cl)Cl)N(C(=O)N2Cl)Cl
PubChem CID
61212
Molecular Weight
279.896
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
180℃
Molecular Weight
279.900 g/mol
XLogP3
1.600
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
279.89 Da
Monoisotopic Mass
277.893 Da
Topological Polar Surface Area
47.100 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
260.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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